Home Amines 113710-34-2
113710-34-2,MFCD00129440
Catalog No.:AA0009C4
113710-34-2 | 2-((3-(Trifluoromethyl)phenyl)amino)ethene-1,1,2-tricarbonitrile
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1mg
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5mg
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$538.00   $377.00
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10mg
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20mg
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  • Technical Information
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Technical Information
Catalog Number:
AA0009C4
Chemical Name:
2-((3-(Trifluoromethyl)phenyl)amino)ethene-1,1,2-tricarbonitrile
CAS Number:
113710-34-2
Molecular Formula:
C12H5F3N4
Molecular Weight:
262.1901
MDL Number:
MFCD00129440
IUPAC Name:
2-[3-(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile
InChI:
InChI=1S/C12H5F3N4/c13-12(14,15)9-2-1-3-10(4-9)19-11(7-18)8(5-16)6-17/h1-4,19H
InChI Key:
NHPLAKMRDIMLGZ-UHFFFAOYSA-N
SMILES:
N#CC(=C(C#N)C#N)Nc1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
501  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.047g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.195g/mol
Monoisotopic Mass:
262.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
113710-34-2 
Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]- 
AKOS015994387 
MCULE-5092095914 
MS-7756 
KS-0000299G 
2-[3-(trifluoromethyl)anilino]-1,1,2-ethylenetricarbonitrile 
1-{[3-(trifluoromethyl)phenyl]amino}eth-1-ene-1,2,2-tricarbonitrile 
CID4073669 
2-[[3-(trifluoromethyl)phenyl]amino]ethene-1,1,2-tricarbonitrile 
2-((3-(Trifluoromethyl)phenyl)amino)ethene-1,1,2-tricarbonitrile 
ACMC-20mive 
AC1N413R 
CTK0C8851 
DTXSID80399045 
2-[3-(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile 
ZINC2582191 
MFCD00129440 
Literature
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